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Phenix: Difference between revisions
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* [http://www.phenix-online.org/documentation/elbow.htm phenix.elbow] - electronic Ligand Builder and Optimisation Workbench | * [http://www.phenix-online.org/documentation/elbow.htm phenix.elbow] - electronic Ligand Builder and Optimisation Workbench | ||
* [http://www.phenix-online.org/documentation/hydrogens.htm phenix.reduce] - tool for adding hydrogens to a PDB model | * [http://www.phenix-online.org/documentation/hydrogens.htm phenix.reduce] - tool for adding hydrogens to a PDB model | ||
* ... | * [http://www.phenix-online.org/documentation/pdbtools.htm phenix.pdbtools] model.pdb set_b_iso=25.3 selection="chain A and resname ALA and name CA" - this will set all B=25 for all CA atoms in all ALA residues of chain A. | ||
== Example == | == Example == | ||
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} | } | ||
== | == Switching off specific interactions == | ||
To switch off the interaction between a specific atom and its environment, e.g. to obtain unbiased (by restraints) estimates of distances, see http://www.phenix-online.org/documentation/refinement.htm#anch80 - you just add restraints of the form: | |||
== See also == | == See also == | ||